4(3H)-Pyrimidinone,5-iodo-2,6-dimethyl- supplier

Name
2,6-DIMETHYL-5-IODO-4(3H)-PYRIMIDONE
EINECS
CAS No. 83410-37-1
Article Data6
CAS DataBase
Density 2.03 g/cm³
Solubility
Melting Point
Formula C₆H₇IN₂O
Boiling Point 254.9 °C at 760 mmHg
Molecular Weight 250.039
Flash Point 107.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dimethyl-5-iodo-4-hydroxypyrimidine;NSC 246041;4(1H)-Pyrimidinone,5-iodo-2,6-dimethyl- (9CI);
PSA 46.01000
LogP 1.40360

4(3H)-Pyrimidinone,5-iodo-2,6-dimethyl- Specification

The 4(3H)-Pyrimidinone,5-iodo-2,6-dimethyl-, with the CAS registry number 83410-37-1, is also known as 5-Iodo-2,6-dimethylpyrimidin-4(1H)-one. This chemical's molecular formula is C₆H₇IN₂O and molecular weight is 250.04. What's more, its IUPAC name is called 5-Iodo-2,6-dimethyl-1H-pyrimidin-4-one.

Physical properties about 4(3H)-Pyrimidinone,5-iodo-2,6-dimethyl- are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.75; (8)ACD/KOC (pH 7.4): 8.7; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 46.88 cm³; (15)Molar Volume: 123 cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 2.03 g/cm³; (18)Flash Point: 107.9 °C; (19)Enthalpy of Vaporization: 49.23 kJ/mol; (20)Boiling Point: 254.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0168 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: I\C1=C(\N\C(=N/C1=O)C)C
(2) InChI: InChI=1/C6H7IN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10)
(3) InChIKey: LLRCHCURQABDLS-UHFFFAOYAZ

Product Name

2,6-DIMETHYL-5-IODO-4(3H)-PYRIMIDONE

4(3H)-Pyrimidinone,5-iodo-2,6-dimethyl- Specification

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